KU14R - ≥98% , CAS No.189224-48-4

CAS: 189224-48-4 Cat. No.: K126644 Fórmula: C₁₃H₁₄N₂O Peso molecular: 214.26

GRADE & PURITY ≥98%

Synonyms

HMS3676K17 | 1H-Imidazol, 2-(2-etil-2,3-di-hidro-2-benzofuranil)- | FT-0706985 | HMS3412K17 | 2-(2-etil-2,3-di-hidrobenzo[b]furan-2-il)-1h-imidazol | A880465 | CHEBI:91671 | AC-36796 | BRD-A38747044-001-01-5 | J-012207 | 2-(2-etil-3H-1-benzofuran-2-il)

Storage

Armazenar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Specifications

Sinónimos

HMS3676K17 | 1H-Imidazol, 2-(2-etil-2,3-di-hidro-2-benzofuranil)- | FT-0706985 | HMS3412K17 | 2-(2-etil-2,3-di-hidrobenzo[b]furan-2-il)-1h-imidazol | A880465 | CHEBI:91671 | AC-36796 | BRD-A38747044-001-01-5 | J-012207 | 2-(2-etil-3H-1-benzofuran-2-il)

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Antagonista do local de ligação da imidazolina atípica (recetor I3 putativo) das células pancreáticas. Bloqueia seletivamente a secreção de insulina induzida pelo efaroxano in vitro e in vivo.

Condições de armazenamento de armazenamento

Armazenar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Tipo de ação

ANTAGONIST

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488194811
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194811
• Sorrisos canónicos: CCC1(CC2=CC=CC=C2O1)C3=NC=CN3
• IUPAC Name: 2-(2-ethyl-3H-1-benzofuran-2-yl)-1H-imidazole
• InChIKey: JCWVNNMJXQJVNC-UHFFFAOYSA-N
• INCHI: 1S/C13H14N2O/c1-2-13(12-14-7-8-15-12)9-10-5-3-4-6-11(10)16-13/h3-8H,2,9H2,1H3,(H,14,15)
• SMILES isoméricas: CCC1(CC2=CC=CC=C2O1)C3=NC=CN3
• Peso molecular: 214.26
• Reaxy-Rn: 8836387
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8836387&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Coumarans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Coumarans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarans
• Alternative Parents: Alkyl aryl ethers Benzenoids Imidazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumaran - Alkyl aryl ether - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Oxacycle - Azacycle - Ether - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 21.43, Max Conc. mM: 100
• Peso molecular: 214.260 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 214.111 Da
• Monoisotopic Mass: 214.111 Da
• Topological Polar Surface Area: 37.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 258.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 189224-48-4, the molecular formula is C13H14N2O, and the molecular weight is 214.26 g/mol. InChIKey JCWVNNMJXQJVNC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.